pyiron / pylammpsmpi

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
https://pylammpsmpi.readthedocs.io
BSD 3-Clause "New" or "Revised" License
30 stars 4 forks source link

RaisingThread not found #165

Closed samwaseda closed 11 months ago

samwaseda commented 12 months ago
from pylammpsmpi import LammpsASELibrary

raises

ImportError                               Traceback (most recent call last)
Cell In[17], line 1
----> 1 from pylammpsmpi import LammpsASELibrary

File /u/system/SLES12/soft/pyiron/dev/anaconda3/lib/python3.10/site-packages/pylammpsmpi/__init__.py:1
----> 1 from pylammpsmpi.wrapper.extended import LammpsLibrary
      2 from pylammpsmpi.wrapper.concurrent import LammpsConcurrent
      3 from pylammpsmpi.wrapper.base import LammpsBase

File /u/system/SLES12/soft/pyiron/dev/anaconda3/lib/python3.10/site-packages/pylammpsmpi/wrapper/extended.py:5
      1 # coding: utf-8
      2 # Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
      3 # Distributed under the terms of "New BSD License", see the LICENSE file.
----> 5 from pylammpsmpi.wrapper.base import LammpsConcurrent
      7 __author__ = "Sarath Menon, Jan Janssen"
      8 __copyright__ = (
      9     "Copyright 2020, Max-Planck-Institut für Eisenforschung GmbH - "
     10     "Computational Materials Design (CM) Department"
     11 )

File /u/system/SLES12/soft/pyiron/dev/anaconda3/lib/python3.10/site-packages/pylammpsmpi/wrapper/base.py:5
      1 # coding: utf-8
      2 # Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
      3 # Distributed under the terms of "New BSD License", see the LICENSE file.
----> 5 from pylammpsmpi.wrapper.concurrent import LammpsConcurrent
      8 __author__ = "Sarath Menon, Jan Janssen"
      9 __copyright__ = (
     10     "Copyright 2020, Max-Planck-Institut für Eisenforschung GmbH - "
     11     "Computational Materials Design (CM) Department"
     12 )

File /u/system/SLES12/soft/pyiron/dev/anaconda3/lib/python3.10/site-packages/pylammpsmpi/wrapper/concurrent.py:9
      7 from concurrent.futures import Future
      8 from queue import Queue
----> 9 from pympipool import RaisingThread, cancel_items_in_queue, interface_bootup
     12 __author__ = "Sarath Menon, Jan Janssen"
     13 __copyright__ = (
     14     "Copyright 2020, Max-Planck-Institut für Eisenforschung GmbH - "
     15     "Computational Materials Design (CM) Department"
     16 )

ImportError: cannot import name 'RaisingThread' from 'pympipool' (/u/system/SLES12/soft/pyiron/dev/anaconda3/lib/python3.10/site-packages/pympipool/__init__.py)
jan-janssen commented 12 months ago

Which version of pympipool and pylammpsmpi are you using?

samwaseda commented 12 months ago

pympipool is 0.7.1 (cluster version)

liamhuber commented 12 months ago

This looks pretty familiar to me; IIRC I had to add the path to certain source files being serialized to my PYTHONPATH to get rid of it, but the better solution was just to upgrade pympipool and it resolved itself!

jan-janssen commented 12 months ago

And which version of pylammpsmpi ? I thought with the recent introduction of the lower bounds we fixed this issue.

samwaseda commented 12 months ago

Is there a way to check it without importing it? I cannot import pylammpsmpi because of the error above.

samwaseda commented 12 months ago

conda list says 0.2.2

jan-janssen commented 12 months ago

Can you update to 0.2.9 or even better 0.2.12 ? With version 0.2.9 the lower bounds were introduced so the versions below are more prone to breaking.